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updated 18 days ago

Chromatography Toolbox by James Dillon

Open-source code for processing chromatography data in the MATLAB programming environment. (chromatography, agilent, chemistry)

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updated 29 days ago

peak fitting program for time-series signals by Tom O'Haver

Tom O'Haver (view profile)

Command-line peak fitter for time-series signals. Version 7.1, April 2015 (statistics, chemistry, curve fitting)

peakfit(signal,center,window,NumPeaks,peakshape,extra,Num...

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updated 29 days ago

Peak finding and measurement by Tom O'Haver

Tom O'Haver (view profile)

Function to locate and measure the positive peaks and valleys in noisy data sets. (chemistry, physics, peak detection)

DemoFindPeaksb3

findpeaks(x,y,SlopeThreshold,AmpThreshold,smoothwidth,pea...

findpeaksE(x,y,SlopeThreshold,AmpThreshold,smoothwidth,pe...

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updated 29 days ago

iPeak: Interactive Peak Detector (Version 7.1) by Tom O'Haver

Tom O'Haver (view profile)

Keypress operated interactive peak detector function. (analytical chemistry, chemistry, instrumental analysis)

DemoFindPeaksb

DemoFindPeaksb3

findpeaks(x,y,SlopeThreshold,AmpThreshold,smoothwidth,pea...

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updated 1 month ago

BEADS: Baseline Estimation And Denoising w/ Sparsity (chromatogram signals) by Laurent Duval

Remove baseline, background or drift and random noise from positive and sparse chromatographic peaks (signal processing, convex optimization, denoising)

Example: Chromatograms BEADS (Baseline Estimation And Den...

beads(y, d, fc, r, lam0, lam1, lam2)

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updated 2 months ago

Air-sea CO2 flux by Cecilia Chapa

This function calculates the air-sea CO2 flux (chemistry, climate, earth science)

FCO2.m

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updated 4 months ago

Simulation the p-orbital of hydrogen atom - l=1, m=1 by Ebrahim Hassani

Simulation the p-orbital of hydrogen atom - l=1, m=1 (chemistry, simulation, physics)

impl(f, corners,c)

S211.m

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updated 4 months ago

Simulation the p-orbital of hydrogen atom - l=1, m=0 by Ebrahim Hassani

Simulation the p-orbital of hydrogen atom - l=1, m=0 (physics, simulation, hydrogen)

impl(f, corners,c)

S310.m

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updated 4 months ago

Polar Onion Peeling by Natan

Natan (view profile)

Apply polar onion peeling method for analyzing velocity map imaging (VMI) data. (onion peeling, physics, chemistry)

POP(im, bParams, qParams, cartImage)

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updated 4 months ago

Find the boundaries of materials in transparent vessels using computer vision by sagi eppel

sagi eppel (view profile)

Given image of material in transparent container find the material boundary in the image (computer vision, image analysis, image processing)

FindLegalPathAB.m

FindLegalPathA.m

Circle( R )

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updated 4 months ago

Fminineq: constrained minimization by David Vallverdu

Fminineq solves constrained minimization problems, with both equality and inequality constraints. (optimization, mathematics, chemistry)

crossderiv(fun, x, i, j)

firstderiv(fun, x, i, ord, mode)

fminineq(f0, x0, Aeq, beq, Ain, bin, dispOption, tolFeas,...

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updated 4 months ago

mikofski/Quantities by Mark Mikofski

Mark Mikofski (view profile)

Quantities is an units and uncertainties package for MATLAB. (mathematics, engineering, science)

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updated 6 months ago

Stoichiometry Tools by Jeffrey Kantor

Jeffrey Kantor (view profile)

Parse chemical formulas for molecular weights and stoichiometric analysis. (chemical reactions, stoichiometry, molecular weight)

StoichTools: Tools for Doing Stoichiometry

zHW: Combusion of Ammonia in Air

zHW: Complete Combustion of Octane

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updated 6 months ago

Infrared Image Software (IRIS) by Kevin Hellemans

FTIR Image Data Processing (ftir, gui, chemistry)

backcor.m

IRIS.m

CLUSTERWINDOW

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updated 6 months ago

libPLS_1.95.zip by Hongdong Li

libPLS: An Integrated Library of Partial Least Squares Regression and Discriminant Analysis (signal processing, statistics, modeling)

irf.m

plsnipals.m

axisrange(x)

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updated 8 months ago

iSignal 4 by Tom O'Haver

Tom O'Haver (view profile)

Interactive smoothing, differentiation, peak sharpening and measurement of time-series signals. (signal processing, data import, chemistry)

Processed=ProcessSignal(x,y,DerivativeMode,w,type,ends,Sh...

[pY,PowerSpectrum]=isignal(DataMatrix,xcenter,xrange,sm,s...

isignaldemo2

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updated 8 months ago

Interactive Peak Fitter (Version 11) by Tom O'Haver

Tom O'Haver (view profile)

Keyboard operated peak fitting function for time-series signals. (chemistry, curve fitting, physics)

DemoPeakfitBootstrap

ExpBroaden(y,t)

IPFDemo11Gauss

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updated 8 months ago

IAPWS_IF97 functional form with no slip by Mark Mikofski

Mark Mikofski (view profile)

Water and steam properties and derivatives based on the IAPWS IF97. Functional form. No slip. (control design, simulation, chemistry)

IAPWS_IF97 Example

IAPWS_IF97(fun,in1,in2)

pT_uv(u,v,p0,T0,options)

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updated 8 months ago

Spectr-O-Matic by Petar Lambrev

Toolbox for analysis of spectroscopy data. Version 1.1.4 (spectroscopy, data analysis, spectrometry)

[maxtab, mintab]=peakdet(v, delta, x)

gaussians(par, X)

getdir(filter)

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updated 9 months ago

PhotonAttenuation 2 by Jaroslaw Tuszynski

Provides the attenuation and energy absorption of x-ray and gamma-ray photons in various materials. (chemistry, physics, photon attenuation)

PhotonAttenuation

Tutorial for PhotonAttenuation2 Package

ParseChemicalFormula(Name)

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updated 9 months ago

Periodic Table by Kevin Hellemans

Dialog for selecting elements from periodic table (chemistry, dialog, periodic table)

periodic_table(varargin)

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updated 9 months ago

PeakFinder by Nathanael Yoder

Quickly finds local maxima (peaks) or minima (valleys) in a noisy signal. (signal processing, maxima, minima)

peakfinder(x0, sel, thresh, extrema, include_endpoints)

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updated 9 months ago

Discrete variable representation (DVR) in 1D by Natan

Natan (view profile)

Discrete variable representation (DVR) for 1D systems in QM (physics, chemistry, linear algebra)

dvr_1d_example.m

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updated 10 months ago

QUBIT4MATLAB V5.0 by Geza Toth

Geza Toth (view profile)

MATLAB package for quantum information science and quantum mechanics. (chemistry, physics, quantum information)

E0=ising_classical_ground(B)

E0=ising_ground(BField,varargin)

E0=ising_thermal(BField,T,varargin)

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updated 11 months ago

Computer vision based recognition of liquid surface and liquid level in transparent vessel by sagi eppel

sagi eppel (view profile)

Computer vision based recognition of liquid level and surface in images (computer vision, image processing, pattern recognition)

ConsistencyFilter(Ir,Iellipse,Resly,Ycnt,Ierea,Fract, Thr...

ELLIPSE.m

Generalized_hough_transform(Is,Itm,thresh )

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updated 1 year ago

Load HITRAN 2004+ Data by Peter T. S. DeVore

Imports HITRAN molecular absorption data as raw and absorbance data. (spectroscopy, chemistry, physics)

discrete_plot_colors()

load_hitran(file_name, wavenumber_1_per_cm, ...

phys_const_2()

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updated 1 year ago

Gillespie Stochastic Simulation Algorithm by Nezar

Nezar (view profile)

Simulate discrete stochastic models of chemical reaction networks. (simulation, modeling, chemistry)

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updated 1 year ago

physical value class by Uriel

Uriel (view profile)

a class that represents a physical value with units and errors (physics, chemistry, statistics)

array_of_vals(vals_arr, err_arr, units)

PhysicalVal

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updated 1 year ago

plot Hydrogen Atom Molecular Orbital by Evan

Evan (view profile)

mix, hybridize, and visualize hydrogen orbital wavefunctions (molecular, physics, chemistry)

PlotHydrogenMolecularOrbital

PlotHydrogenMolecularOrbital_1s2s3s4s

PlotHydrogenMolecularOrbital_2p

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updated 1 year ago

Droplet Video Proccessor - code 1 of 3 by Matthew Moynihan

This code processes video of droplet production and does statistics on each droplet made. (video processing, droplets, biotech)

BWSizerA(videoBlock, dim, fStruct)

BlackOut(Image, rect, BLKrect, val)

findFilterNumA(I, rect)

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updated 1 year ago

Ferrofluid : pseudo simulation by Youssef Khmou

Youssef Khmou (view profile)

Pseudo simulation of liquid magnet , first version . (chemistry, simulation)

B=ferrofluid(n)

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updated 1 year ago

Finite Difference Beam Propagation Method by Edgar Guevara

Edgar Guevara (view profile)

Gaussian pulse propagated in free space using FDBPM (chemistry, physics, fdbpm)

FDBPM_free_space.m

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updated 1 year ago

Finite Differences Beam Propagation Method in 3-D by Edgar Guevara

Edgar Guevara (view profile)

3-D Simulation of a gaussian pulse propagated in free space (chemistry, physics, adi)

FDBPM3D_free_space.m

FDBPM3D_free_space_slice.m

FDBPM3D_free_space_volume.m

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updated 1 year ago

FFT Beam Propagation Method by Edgar Guevara

Edgar Guevara (view profile)

Implementation of the FFT BPM in different optical waveguides and free space (chemistry, physics, fft)

BPM_2step.m

BPM_Y_Branch.m

BPM_free_space.m

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updated almost 2 years ago

Wigner3j symbol by Kobi

Kobi (view profile)

Wigner3j( J123, M123) calculates the Wigner 3j symbol. (chemistry, physics, wigner)

Wigner3j( j123, m123 )

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updated almost 2 years ago

SpinEchoMLE by Lee Potter

Maximum likelihood estimator for spin echo time decay constant. (signal processing, chemistry, physics)

SpinEchoMLE(Y,two_tau,Avg,x,opt)

SpinEchoPeakEst(Y,loc,two_tau,opt)

ExampleSpinEchoMLE.m

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updated almost 2 years ago

solving Diophantine equation by davood shaghaghi

This function is written to solve Diopantine equation.this equation should be in the form of C = A*F (control design, optimization, simulation)

dioph_SISO(A,C,n)

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updated almost 2 years ago

Applications of Chaos and Nonlinear Dynamics in Engineering - Vol. 1 by Stephen Lynch

Stephen Lynch (view profile)

Lynch files to accompany the book. (modeling, simulink, mathematics)

sys=Hopf_System(~,x)

xdot=Chem(~,x)

xdot=Duffing(t,x)

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updated almost 2 years ago

MIMO-Diophantine solver by davood shaghaghi

This function solve MIMO-Diophantine equation. (control design, optimization, simulation)

mimodioph(A,B,N)

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updated 2 years ago

Four parameters logistic regression - There and back again by Giuseppe Cardillo

Fit data points with a four points logistic regression or interpolate data. (statistics, chemistry, pharmaceutical)

L4Pinv(cf,y)

[cf G]=L4P(x,y,varargin)

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updated 2 years ago

Buckinghams Pi-Theorem in MATLAB by Thomas Tresch

Calculation of the dimensionless quantities (pi-groups) for given dimensional variables (pitheorem, dimensional analysis, physics)

PI_Groups_Calculation.m

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updated 2 years ago

Langmuir probe data analysis code by aasim Azooz

aasim Azooz (view profile)

four parameters fitting of Langmuir I-V probe data (chemistry, physics, plasma)

[Ne,Ni,Vp,Vf,Te,E,f]=Analyze_Langmuir(V,I,Area,Mass)

f=Dry(a,x)

f=langmuir(a,x);

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updated 2 years ago

Background correction by Vincent Mazet

Compute an estimation of the background (aka baseline) in chemical spectra. (signal processing, chemistry, gui)

backcor(n,y,ord,s,fct)

demo.m

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updated 2 years ago

Final by Asif

Asif (view profile)

A final exam Problem in one of the courses (chemistry)

asif

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updated 2 years ago

Henry's Law Constant Calculator by Nate

Nate (view profile)

Calculates Henry's constant for common gases (henrys constant, constant, chemical engineering)

henrys(gasname,gastemp)

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updated 2 years ago

Empirical formula by Jonathan Karr

Jonathan Karr (view profile)

Class for representing empirical formulae including support for basic math (+, -, *, etc.) (empirical formula, element, chemistry)

edu.stanford.covert.util.EmpiricalFormula

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updated 2 years ago

DataSet Object by Scott Koch

The DataSet object (DSO) is a Matlab object created to hold both data and metadata. (statistics, chemistry, data import)

dataset(varargin)

datasetdemo.m

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updated 2 years ago

VASPLAB by Max Radin

Max Radin (view profile)

Functions for integrating data from the Vienna Ab initio Simulation Package (VASP) into MATLAB. (chemistry, physics, vasp)

atomic_radius( Z )

chemsym2number( symbol )

export_df3( filename, chg )

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updated 2 years ago

Medium Model by Mark Selby

Thermodynamic Fluid Properties (thermodynamics, chemistry, fluid properties)

MediumModel

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updated 2 years ago

Method for quantitative absorption spectroscopy, version 2.1 by Tom O'Haver

Tom O'Haver (view profile)

A computational method for quantitative analysis by multiwavelength absorption spectroscopy (chemistry, physics, absorption spectrosco...)

CalculateTfit(x,y,InstFunction,width,absorbance,InstWidth...

TFit3A1(n,h)

TFit3A2(n,h)

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